(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine

C20H30F2N2 — CID 166434334

IUPAC(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine
SMILESCC(NC1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)C1(C)CC1(F)F
InChIInChI=1S/C20H30F2N2/c1-14-10-18(23-16(3)19(4)13-20(19,21)22)11-15(2)24(14)12-17-8-6-5-7-9-17/h5-9,14-16,18,23H,10-13H2,1-4H3/t14-,15+,16?,18?,19?
InChIKeyUMLQXDLNOYOSHC-MBQJZOOASA-N
MW336.47 g/mol
LogP4.45
Rot. Bonds5

About (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine

(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine (PubChem CID 166434334) has the molecular formula C20H30F2N2 and a molecular weight of 336.47 g/mol. Its IUPAC name is (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine
PubChem CID166434334
Molecular FormulaC20H30F2N2
Molecular Weight336.47 g/mol
Exact Mass336.24
IUPAC Name(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine
SMILESCC(NC1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)C1(C)CC1(F)F
InChIInChI=1S/C20H30F2N2/c1-14-10-18(23-16(3)19(4)13-20(19,21)22)11-15(2)24(14)12-17-8-6-5-7-9-17/h5-9,14-16,18,23H,10-13H2,1-4H3/t14-,15+,16?,18?,19?
InChIKeyUMLQXDLNOYOSHC-MBQJZOOASA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
3-[(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]propanenitrile
CID 83913156
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
1-benzyl-N-[1-(4-methoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 113260760
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
(2R,6R)-1-benzyl-2,6-dimethyl-4-(4-nitropyrazol-1-yl)piperidine
CID 165161671

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine?
The IUPAC name of (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine (CID 166434334) is (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine.
What is the SMILES notation for (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine?
The canonical SMILES for (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine is CC(NC1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)C1(C)CC1(F)F.
What is the InChIKey of (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine?
The InChIKey is UMLQXDLNOYOSHC-MBQJZOOASA-N. The full InChI is InChI=1S/C20H30F2N2/c1-14-10-18(23-16(3)19(4)13-20(19,21)22)11-15(2)24(14)12-17-8-6-5-7-9-17/h5-9,14-16,18,23H,10-13H2,1-4H3/t14-,15+,16?,18?,19?.
What are the key properties of (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine?
(2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine has a molecular weight of 336.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-benzyl-N-[1-(2,2-difluoro-1-methylcyclopropyl)ethyl]-2,6-dimethylpiperidin-4-amine is sourced from PubChem (CID 166434334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).